[(2S)-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl] (2S)-2-(aminocarbonylamino)-3-phenyl-propanoate

Systemtic Name: [(2S)-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl] (2S)-2-(aminocarbonylamino)-3-phenyl-propanoate Openeye Name: [(1S)-2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-methyl-2-oxo-ethyl] (2S)-3-phenyl-2-ureido-propanoate CAS Name: (2S)-2-(carbamoylamino)-3-phenylpropanoic acid [(2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] (2S)-2-(carbamoylamino)-3-phenylpropanoate Traditional Name: (2S)-3-phenyl-2-ureido-propionic acid [(1S)-2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-1-methyl-ethyl] ester Formula: C21H25N3O5 MolecularWeight: 399.4403

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)C(C)OC(=O)C(CC2=CC=CC=C2)NC(=O)N

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)[C@H](C)OC(=O)[C@H](CC2=CC=CC=C2)NC(=O)N

InChI

InChI=1S/C21H25N3O5/c1-11-17(13(3)25)12(2)23-18(11)19(26)14(4)29-20(27)16(24-21(22)28)10-15-8-6-5-7-9-15/h5-9,14,16,23H,10H2,1-4H3,(H3,22,24,28)/t14-,16-/m0/s1